N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine

C16H26FN3 — CID 63167614

IUPACN,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNc2ccccc2F)C1
InChIInChI=1S/C16H26FN3/c1-3-20(4-2)14-9-11-19(13-14)12-10-18-16-8-6-5-7-15(16)17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyQWMZJGFQKNTZNR-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.65
Rot. Bonds7

About N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine

N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine (PubChem CID 63167614) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
PubChem CID63167614
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNc2ccccc2F)C1
InChIInChI=1S/C16H26FN3/c1-3-20(4-2)14-9-11-19(13-14)12-10-18-16-8-6-5-7-15(16)17/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyQWMZJGFQKNTZNR-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167572
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline
CID 62932207
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
1-[2-(2-fluoroanilino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469276
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62773690
N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560518
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
CID 63167916
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
CID 104692420
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine (CID 63167614) is N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine is CCN(CC)C1CCN(CCNc2ccccc2F)C1.
What is the InChIKey of N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine?
The InChIKey is QWMZJGFQKNTZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-20(4-2)14-9-11-19(13-14)12-10-18-16-8-6-5-7-15(16)17/h5-8,14,18H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine?
N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63167614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).